7XDD
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![BU of 7xdd by Molmil](/molmil-images/mine/7xdd) | Cryo-EM structure of EDS1 and PAD4 | Descriptor: | Lipase-like PAD4, Protein EDS1 | Authors: | Huang, S.J, Jia, A.L, Sun, Y, Han, Z.F, Chai, J.J. | Deposit date: | 2022-03-26 | Release date: | 2022-07-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity. Science, 377, 2022
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4RZF
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![BU of 4rzf by Molmil](/molmil-images/mine/4rzf) | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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4RZG
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![BU of 4rzg by Molmil](/molmil-images/mine/4rzg) | Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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3WUE
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![BU of 3wue by Molmil](/molmil-images/mine/3wue) | The wild type crystal structure of b-1,4-Xylanase (XynAS9) with xylobiose from Streptomyces sp. 9 | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y, Guo, R.T. | Deposit date: | 2014-04-23 | Release date: | 2014-10-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability. J.Biotechnol., 189C, 2014
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3WUF
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![BU of 3wuf by Molmil](/molmil-images/mine/3wuf) | The mutant crystal structure of b-1,4-Xylanase (XynAS9_V43P/G44E) from Streptomyces sp. 9 | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T. | Deposit date: | 2014-04-23 | Release date: | 2014-10-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability. J.Biotechnol., 189C, 2014
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7C7P
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![BU of 7c7p by Molmil](/molmil-images/mine/7c7p) | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | Deposit date: | 2020-05-26 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | Descriptor: | 3C-like proteinase, boceprevir (bound form) | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | Deposit date: | 2020-08-04 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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6LU5
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![BU of 6lu5 by Molmil](/molmil-images/mine/6lu5) | Crystal structure of BPTF-BRD with ligand DCBPin5 bound | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-25 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86527729 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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6LU6
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![BU of 6lu6 by Molmil](/molmil-images/mine/6lu6) | Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-26 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.970063 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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5UOJ
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![BU of 5uoj by Molmil](/molmil-images/mine/5uoj) | |
7DQ7
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![BU of 7dq7 by Molmil](/molmil-images/mine/7dq7) | Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 5F5 | Descriptor: | 5F5 VH, 5F5 VL, Capsid protein VP4, ... | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | Deposit date: | 2020-12-22 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DPF
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![BU of 7dpf by Molmil](/molmil-images/mine/7dpf) | Cryo-EM structure of Coxsackievirus B1 mature virion | Descriptor: | Capsid protein VP4, PALMITIC ACID, VP2, ... | Authors: | Zheng, Q, Li, S. | Deposit date: | 2020-12-18 | Release date: | 2021-05-05 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DQ4
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![BU of 7dq4 by Molmil](/molmil-images/mine/7dq4) | Cryo-EM structure of CAR triggered Coxsackievirus B1 A-particle | Descriptor: | VP2, VP3, Virion protein 1 | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | Deposit date: | 2020-12-22 | Release date: | 2021-05-05 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DPZ
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![BU of 7dpz by Molmil](/molmil-images/mine/7dpz) | Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR | Descriptor: | Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ... | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | Deposit date: | 2020-12-22 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DPG
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![BU of 7dpg by Molmil](/molmil-images/mine/7dpg) | Cryo-EM structure of Coxsackievirus B1 empty particle | Descriptor: | VP2, VP3, Virion protein 1 | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q, Xia, N. | Deposit date: | 2020-12-18 | Release date: | 2021-05-05 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DQ1
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![BU of 7dq1 by Molmil](/molmil-images/mine/7dq1) | Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR at physiological temperature | Descriptor: | Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ... | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | Deposit date: | 2020-12-22 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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4NWK
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![BU of 4nwk by Molmil](/molmil-images/mine/4nwk) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | Descriptor: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | Authors: | Muckelbauer, J.K, Klei, H.E. | Deposit date: | 2013-12-06 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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4NWL
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![BU of 4nwl by Molmil](/molmil-images/mine/4nwl) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | Descriptor: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | Authors: | Muckelbauer, J.K, Klei, H.E. | Deposit date: | 2013-12-06 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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7CWO
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![BU of 7cwo by Molmil](/molmil-images/mine/7cwo) | SARS-CoV-2 spike protein RBD and P17 fab complex | Descriptor: | Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab | Authors: | Wang, X, Wang, N. | Deposit date: | 2020-08-29 | Release date: | 2020-12-16 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection. Cell Res., 31, 2021
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4KZM
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![BU of 4kzm by Molmil](/molmil-images/mine/4kzm) | Crystal Structure of TR3 LBD S553A Mutant | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | Deposit date: | 2013-05-30 | Release date: | 2013-12-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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4KZ0
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![BU of 4kz0 by Molmil](/molmil-images/mine/4kz0) | Structure of PI3K gamma with Imidazopyridine inhibitors | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2013-05-29 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. Bioorg.Med.Chem.Lett., 23, 2013
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4KZC
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![BU of 4kzc by Molmil](/molmil-images/mine/4kzc) | Structure of PI3K gamma with Imidazopyridine inhibitors | Descriptor: | N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Knapp, M.S, Elling, E.A. | Deposit date: | 2013-05-29 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. Bioorg.Med.Chem.Lett., 23, 2013
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7CWL
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![BU of 7cwl by Molmil](/molmil-images/mine/7cwl) | |
7CWM
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![BU of 7cwm by Molmil](/molmil-images/mine/7cwm) | |
7CWN
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![BU of 7cwn by Molmil](/molmil-images/mine/7cwn) | P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, N, Wang, X. | Deposit date: | 2020-08-29 | Release date: | 2020-12-16 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection. Cell Res., 31, 2021
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